3-[2-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxidanylidene-ethyl]-2,3-dihydroisoindol-1-one

Systemtic Name: 3-[2-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxidanylidene-ethyl]-2,3-dihydroisoindol-1-one Openeye Name: 3-[2-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxo-ethyl]isoindolin-1-one CAS Name: 3-[2-[9-methoxy-7-[4-(methylthio)phenyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-2,3-dihydroisoindol-1-one IUPAC Name: 3-[2-[9-methoxy-7-(4-methylsulfanylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-2,3-dihydroisoindol-1-one Traditional Name: 3-[2-keto-2-[9-methoxy-7-[4-(methylthio)phenyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]isoindolin-1-one Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)C(=O)CC3C4=CC=CC=C4C(=O)N3)C5=CC=C(C=C5)SC

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)C(=O)CC3C4=CC=CC=C4C(=O)N3)C5=CC=C(C=C5)SC

InChI

InChI=1S/C27H26N2O4S/c1-32-24-14-18(17-7-9-20(34-2)10-8-17)13-19-16-29(11-12-33-26(19)24)25(30)15-23-21-5-3-4-6-22(21)27(31)28-23/h3-10,13-14,23H,11-12,15-16H2,1-2H3,(H,28,31)